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Chirality-Driven Mode of Binding of α-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
Feng, Yuting; Park, Jaeok; Li, Shi-Guang; Boutin, Rebecca; Viereck, Peter; Schilling, Matthew A; Berghuis, Albert M; Tsantrizos, Youla S.
Affiliation
  • Feng Y; Department of Chemistry , McGill University , 801 Sherbrooke Street West , Montreal , Quebec H3A 0B8 , Canada.
  • Park J; Department of Chemistry , McGill University , 801 Sherbrooke Street West , Montreal , Quebec H3A 0B8 , Canada.
  • Li SG; Department of Biochemistry , McGill University , 3649 Promenade Sir William Osler , Montreal , Quebeck H3G 0B1 , Canada.
  • Boutin R; Department of Chemistry , McGill University , 801 Sherbrooke Street West , Montreal , Quebec H3A 0B8 , Canada.
  • Viereck P; Department of Chemistry , McGill University , 801 Sherbrooke Street West , Montreal , Quebec H3A 0B8 , Canada.
  • Schilling MA; Department of Chemistry , McGill University , 801 Sherbrooke Street West , Montreal , Quebec H3A 0B8 , Canada.
  • Berghuis AM; Department of Biochemistry , McGill University , 3649 Promenade Sir William Osler , Montreal , Quebeck H3G 0B1 , Canada.
  • Tsantrizos YS; Department of Biochemistry , McGill University , 3649 Promenade Sir William Osler , Montreal , Quebeck H3G 0B1 , Canada.
J Med Chem ; 62(21): 9691-9702, 2019 11 14.
Article in En | MEDLINE | ID: mdl-31577901
ABSTRACT
Thienopyrimidine-based allosteric inhibitors of the human farnesyl pyrophosphate synthase (hFPPS), characterized by a chiral α-aminophosphonic acid moiety, were synthesized as enantiomerically enriched pairs, and their binding mode was investigated by X-ray crystallography. A general consensus in the binding orientation of all (R)- and (S)-enantiomers was revealed. This finding is a prerequisite for establishing a reliable structure-activity relationship (SAR) model.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Polyisoprenyl Phosphates / Sesquiterpenes / Enzyme Inhibitors / Aminoethylphosphonic Acid / Ligases Type of study: Prognostic_studies Limits: Humans Language: En Journal: J Med Chem Journal subject: QUIMICA Year: 2019 Document type: Article Affiliation country: Canadá
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Polyisoprenyl Phosphates / Sesquiterpenes / Enzyme Inhibitors / Aminoethylphosphonic Acid / Ligases Type of study: Prognostic_studies Limits: Humans Language: En Journal: J Med Chem Journal subject: QUIMICA Year: 2019 Document type: Article Affiliation country: Canadá